Vitas-M small molecule compound

(5Z)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK706553
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H27N3O2S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S2/c1-5-13-32-23-12-11-20(14-19(23)4)25-21(17-30(28-25)22-9-7-6-8-10-22)15-24-26(31)29(16-18(2)3)27(33)34-24/h5-12,14-15,17-18H,1,13,16H2,2-4H3/b24-15-
InChIKey
PKQITBXHSSGUNZ-IWIPYMOSSA-N
Synonyms

(5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3isobutyl2thioxothiazolidin4one
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)OCC=C
InChI=1SC27H27N3O2S2c15133223121120(1419(23)4)2521(1730(2825)2297681022)152426(31)29(1618(2)3)27(33)3424h51214151718H11316H224H3b2415
MFCD02997077
ZINC000002305833
ZINC02305833
ZINC2305833

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Available files

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